Find Symmetries

Description

Find symmetries in the input structure and simplify it. The module uses the external Kplot program.

Input Ports

structure_in MoleculeType Molecular structure data eventually containing a valid space group symbol.

Parameters

Ignore input symmetries toggle If set the symmetry group in the input structure is not passed to the Kplot program.

Output Ports

structure_out MoleculeType Simplified molecular structure based on the found symmetry.
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